2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide

C17H18BrNO4 — CID 17432048

IUPAC2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
SMILESCOc1cc(C)c(NC(=O)COc2cccc(Br)c2)cc1OC
InChIInChI=1S/C17H18BrNO4/c1-11-7-15(21-2)16(22-3)9-14(11)19-17(20)10-23-13-6-4-5-12(18)8-13/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyWSGKPJYAPPMWAO-UHFFFAOYSA-N
MW380.24 g/mol
LogP3.79
Rot. Bonds6

About 2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide

2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide (PubChem CID 17432048) has the molecular formula C17H18BrNO4 and a molecular weight of 380.24 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
PubChem CID17432048
Molecular FormulaC17H18BrNO4
Molecular Weight380.24 g/mol
Exact Mass379.04
IUPAC Name2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
SMILESCOc1cc(C)c(NC(=O)COc2cccc(Br)c2)cc1OC
InChIInChI=1S/C17H18BrNO4/c1-11-7-15(21-2)16(22-3)9-14(11)19-17(20)10-23-13-6-4-5-12(18)8-13/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyWSGKPJYAPPMWAO-UHFFFAOYSA-N
XLogP3.79
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenoxy)acetamide
CID 26209437
N-(4,5-dimethoxy-2-methylphenyl)-2-(3-ethylphenoxy)acetamide
CID 7751005
N-(4,5-dimethoxy-2-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 7923885
2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691197
N-(5-bromo-2-methoxyphenyl)-2-phenoxyacetamide
CID 47317656
N-(5-bromo-2-methylphenyl)-2-phenoxyacetamide
CID 43806384
N-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 28867331
N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
CID 171154737
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
N-(4,5-dimethoxy-2-methylphenyl)-2-(2-propoxyphenoxy)acetamide
CID 7751061
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide
CID 7818239
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide (CID 17432048) is 2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide is COc1cc(C)c(NC(=O)COc2cccc(Br)c2)cc1OC.
What is the InChIKey of 2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide?
The InChIKey is WSGKPJYAPPMWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4/c1-11-7-15(21-2)16(22-3)9-14(11)19-17(20)10-23-13-6-4-5-12(18)8-13/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of 2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide?
2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide has a molecular weight of 380.24 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide is sourced from PubChem (CID 17432048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).